7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine

C12H23N — CID 123513445

IUPAC7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
SMILESCCC1CC2CCCN2C(C)(C)C1
InChIInChI=1S/C12H23N/c1-4-10-8-11-6-5-7-13(11)12(2,3)9-10/h10-11H,4-9H2,1-3H3
InChIKeyNYALSAKDWLQSDI-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.05
Rot. Bonds1

About 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine

7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine (PubChem CID 123513445) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine.

Molecular Properties

Compound Name7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
PubChem CID123513445
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine
SMILESCCC1CC2CCCN2C(C)(C)C1
InChIInChI=1S/C12H23N/c1-4-10-8-11-6-5-7-13(11)12(2,3)9-10/h10-11H,4-9H2,1-3H3
InChIKeyNYALSAKDWLQSDI-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The IUPAC name of 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine (CID 123513445) is 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine.
What is the SMILES notation for 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The canonical SMILES for 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine is CCC1CC2CCCN2C(C)(C)C1.
What is the InChIKey of 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
The InChIKey is NYALSAKDWLQSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10-8-11-6-5-7-13(11)12(2,3)9-10/h10-11H,4-9H2,1-3H3.
What are the key properties of 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine?
7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine has a molecular weight of 181.32 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine is sourced from PubChem (CID 123513445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).